3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

C20H22N6O — CID 56699027

IUPAC3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1C
InChIInChI=1S/C20H22N6O/c1-14-3-4-16(13-15(14)2)20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyLQLKZLNWMJNHCC-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.07
Rot. Bonds7

About 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 56699027) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID56699027
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1C
InChIInChI=1S/C20H22N6O/c1-14-3-4-16(13-15(14)2)20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyLQLKZLNWMJNHCC-UHFFFAOYSA-N
XLogP3.07
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122289061
1-(3,5-dimethylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065114
1-(3-fluoro-4-methylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065120
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289096
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 56699027) is 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is LQLKZLNWMJNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-3-4-16(13-15(14)2)20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,21,24,26).
What are the key properties of 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 362.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 56699027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).